SCHEMBL123262

SCHEMBL123262

Cc1ccc(NNCCc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
TKT P29401 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
FABP4 P15090 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
AURKA O14965 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL265097 0.87 MAPT (0.50) DAOTKTMAPTCYP3A4CYP3A5
SCHEMBL1120384 0.81 GAA (0.49) MAPTMEN1ALDH1A1KMT2AAURKA
Hydrochloric Acid SCHEMBL119951 0.80 GAA (0.48) MAPTMEN1ALDH1A1KMT2AAURKA
SCHEMBL934513 0.79 GAA (0.46) MAPTMEN1ALDH1A1KMT2A
SCHEMBL20582056 0.76 PLAAT3 (0.46) DAOTKTCYP3A4CYP3A5KDM1A
SCHEMBL265830 0.76 HRH3 (0.48) DAOTKTMAPTCYP3A4CYP3A5
SCHEMBL991931 0.73 TAAR1 (0.52) MAPTCYP3A4ALDH1A1KMT2ACYP2C19
SCHEMBL272264 0.73 DAO (0.42) DAOTKTMAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL20582040 0.72 DAO (0.46) DAOTKTCYP3A4CYP3A5ALDH1A1
SCHEMBL263388 0.71 MAPT (0.43) DAOMAPTCYP3A4MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424364-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP disclosed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 WO disclosed